4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine

C19H23NO3S — CID 2941295

IUPAC4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine
SMILESCc1ccc(S(=O)(=O)CC(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H23NO3S/c1-16-7-9-18(10-8-16)24(21,22)15-19(17-5-3-2-4-6-17)20-11-13-23-14-12-20/h2-10,19H,11-15H2,1H3
InChIKeyIBVDEYCKBGNESF-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.84
Rot. Bonds5

About 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine

4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine (PubChem CID 2941295) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine
PubChem CID2941295
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine
SMILESCc1ccc(S(=O)(=O)CC(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H23NO3S/c1-16-7-9-18(10-8-16)24(21,22)15-19(17-5-3-2-4-6-17)20-11-13-23-14-12-20/h2-10,19H,11-15H2,1H3
InChIKeyIBVDEYCKBGNESF-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine?
The IUPAC name of 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine (CID 2941295) is 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine?
The canonical SMILES for 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine is Cc1ccc(S(=O)(=O)CC(c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine?
The InChIKey is IBVDEYCKBGNESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-16-7-9-18(10-8-16)24(21,22)15-19(17-5-3-2-4-6-17)20-11-13-23-14-12-20/h2-10,19H,11-15H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine?
4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine has a molecular weight of 345.46 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)sulfonyl-1-phenylethyl]morpholine is sourced from PubChem (CID 2941295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).